Geometry & MOs

Info

ID:

132686

PubChem CID:

51401549

Reduced:

SF2O2N4H7C11 (1)

Stoich.:

AB2C2D4E7F11 (1)

Weight, g/mol:

321.065751

ΔHf, kcal/mol:

-59.78

Dipole, Da:

4.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.061545

Charge, e:

 -1

Chem-info

IUPAC name:

3-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazin-5-olate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)NC(=O)CSC2=NC(=CN=N2)[O-]

DOS

IR

Vibrations